Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLVTAIVKPFKLDDVREALSDIGVQGITVTEVKGFGRQKGHTELYRGAEYVVDFLPKVKIEIAISDEMVDAVIESITRVASTGKIGDGKIFLTNLEQVIRIRTGETGPDAV 2NUU Chain:H ((1-112)) MKLVTVIIKPFKLEDVREALSSIGIQGLTVTEVKGFGRQKGHAELYRGAEYSVNFLPKVKIDVAIADDQLDEVIDIVSKAAYTGKIGDGKIFVAELQRVIRIRTGEADEAAL

General information: TITO was launched using: RESULT: Template: 2NUU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 415 -56794 -136.85 -507.08 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain H : 0.95 3D Compatibility (PKB) : -136.85 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_2NUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NUU-query.scw PDB file : Tito_Scwrl_2NUU.pdb: